CID 175833725

C19H12Na3O — CID 175833725

IUPAC—
SMILESC#CCOc1ccc2ccc3cccc4ccc1c2c34.[Na].[Na].[Na]
InChIInChI=1S/C19H12O.3Na/c1-2-12-20-17-11-9-15-7-6-13-4-3-5-14-8-10-16(17)19(15)18(13)14;;;/h1,3-11H,12H2;;;
InChIKeyAEPOERWBKOYSMT-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.45
Rot. Bonds2

About CID 175833725

CID 175833725 (PubChem CID 175833725) has the molecular formula C19H12Na3O and a molecular weight of 325.27 g/mol.

Molecular Properties

Compound NameCID 175833725
PubChem CID175833725
Molecular FormulaC19H12Na3O
Molecular Weight325.27 g/mol
Exact Mass325.06
IUPAC Name—
SMILESC#CCOc1ccc2ccc3cccc4ccc1c2c34.[Na].[Na].[Na]
InChIInChI=1S/C19H12O.3Na/c1-2-12-20-17-11-9-15-7-6-13-4-3-5-14-8-10-16(17)19(15)18(13)14;;;/h1,3-11H,12H2;;;
InChIKeyAEPOERWBKOYSMT-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175833725?
The IUPAC name of CID 175833725 (CID 175833725) is not available.
What is the SMILES notation for CID 175833725?
The canonical SMILES for CID 175833725 is C#CCOc1ccc2ccc3cccc4ccc1c2c34.[Na].[Na].[Na].
What is the InChIKey of CID 175833725?
The InChIKey is AEPOERWBKOYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O.3Na/c1-2-12-20-17-11-9-15-7-6-13-4-3-5-14-8-10-16(17)19(15)18(13)14;;;/h1,3-11H,12H2;;;.
What are the key properties of CID 175833725?
CID 175833725 has a molecular weight of 325.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175833725 is sourced from PubChem (CID 175833725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).